| SpectraBase Compound ID | JZMSZW9Kvr1 |
|---|---|
| InChI | InChI=1S/C10H13BrN2O3/c1-6(2)16-10-5-8(12-3)9(13(14)15)4-7(10)11/h4-6,12H,1-3H3 |
| InChIKey | IHKKYRPGLFXQCN-UHFFFAOYSA-N |
| Mol Weight | 289.13 g/mol |
| Molecular Formula | C10H13BrN2O3 |
| Exact Mass | 288.010955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BHVo3PfMKlP |
|---|---|
| Name | 4-Bromo-5-isopropoxy-2-nitroaniline, N-methyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.010955284 u |
| Formula | C10H13BrN2O3 |
| InChI | InChI=1S/C10H13BrN2O3/c1-6(2)16-10-5-8(12-3)9(13(14)15)4-7(10)11/h4-6,12H,1-3H3 |
| InChIKey | IHKKYRPGLFXQCN-UHFFFAOYSA-N |
| SMILES | C1(NC)=C(C=C(C(=C1)OC(C)C)Br)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879016 |